Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7118154
Preview
| Coordinates | 7118154.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | [CrII(N(TMS)2)2(py)2] |
|---|---|
| Formula | C22 H46 Cr N4 Si4 |
| Calculated formula | C22 H46 Cr N4 Si4 |
| SMILES | [Cr](N([Si](C)(C)C)[Si](C)(C)C)([n]1ccccc1)(N([Si](C)(C)C)[Si](C)(C)C)[n]1ccccc1 |
| Title of publication | Uniaxial magnetic anisotropy of square-planar chromium(II) complexes revealed by magnetic and HF-EPR studies |
| Authors of publication | Yi-Fei Deng; Tian Han; Zhenxing Wang; Zhongwen Ouyang; Bing Yin; Zhiping Zheng; J. Krzystek; Yan-Zhen Zheng |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 17688 |
| a | 10.972 ± 0.016 Å |
| b | 11.699 ± 0.016 Å |
| c | 13.519 ± 0.019 Å |
| α | 99.28 ± 0.02° |
| β | 95.81 ± 0.02° |
| γ | 115.672 ± 0.018° |
| Cell volume | 1515 ± 4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0538 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0841 |
| Weighted residual factors for all reflections included in the refinement | 0.0922 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7118154.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7118154.cif |
| 171418 | 2015-12-10 | cif/ Adding structures of 7118154 via cif-deposit CGI script. |
7118154.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.